2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide

C26H48N6O — CID 170189150

IUPAC2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide
SMILESC=C(C)CCCCNC(=C)CNC(=C)CNC(=C)CNC(=O)CNC(=C)CCCCCNC
InChIInChI=1S/C26H48N6O/c1-21(2)13-10-12-16-28-23(4)17-29-24(5)18-30-25(6)19-32-26(33)20-31-22(3)14-9-8-11-15-27-7/h27-31H,1,3-6,8-20H2,2,7H3,(H,32,33)
InChIKeyIPYVIRMXTAOIFP-UHFFFAOYSA-N
MW460.71 g/mol
LogP3.04
Rot. Bonds23

About 2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide

2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide (PubChem CID 170189150) has the molecular formula C26H48N6O and a molecular weight of 460.71 g/mol. Its IUPAC name is 2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide.

Molecular Properties

Compound Name2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide
PubChem CID170189150
Molecular FormulaC26H48N6O
Molecular Weight460.71 g/mol
Exact Mass460.39
IUPAC Name2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide
SMILESC=C(C)CCCCNC(=C)CNC(=C)CNC(=C)CNC(=O)CNC(=C)CCCCCNC
InChIInChI=1S/C26H48N6O/c1-21(2)13-10-12-16-28-23(4)17-29-24(5)18-30-25(6)19-32-26(33)20-31-22(3)14-9-8-11-15-27-7/h27-31H,1,3-6,8-20H2,2,7H3,(H,32,33)
InChIKeyIPYVIRMXTAOIFP-UHFFFAOYSA-N
XLogP3.04
TPSA89.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.71
LogP ≤ 53.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide?
The IUPAC name of 2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide (CID 170189150) is 2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide.
What is the SMILES notation for 2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide?
The canonical SMILES for 2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide is C=C(C)CCCCNC(=C)CNC(=C)CNC(=C)CNC(=O)CNC(=C)CCCCCNC.
What is the InChIKey of 2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide?
The InChIKey is IPYVIRMXTAOIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N6O/c1-21(2)13-10-12-16-28-23(4)17-29-24(5)18-30-25(6)19-32-26(33)20-31-22(3)14-9-8-11-15-27-7/h27-31H,1,3-6,8-20H2,2,7H3,(H,32,33).
What are the key properties of 2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide?
2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide has a molecular weight of 460.71 g/mol, XLogP of 3.04, 23 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide is sourced from PubChem (CID 170189150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).